N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

C17H21N3O4S — CID 52938668

IUPACN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
InChIKeyPSZSXLJBEDTGAZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.05
Rot. Bonds5

About N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 52938668) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID52938668
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
InChIKeyPSZSXLJBEDTGAZ-UHFFFAOYSA-N
XLogP1.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Thaumatin
CID 1151816
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
1-[4-(Piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
CID 745878
N-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 51039927
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
5-oxo-1-phenyl-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17080567
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 697595
N-(4-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
CID 833152

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 52938668) is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is PSZSXLJBEDTGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21).
What are the key properties of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 363.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 52938668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).